CID 92780

4-isopropyl-2-cyclohexenone

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CC(C)C1CCC(=O)C=C1

InChI

InChI=1S/C9H14O/c1-7(2)8-3-5-9(10)6-4-8/h3,5,7-8H,4,6H2,1-2H3

InChIKey

AANMVENRNJYEMK-UHFFFAOYSA-N

Compound name

4-propan-2-ylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1572
Patents: 138.10446 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	139.11174	129.8
[M+Na]+	161.09368	141.6
[M+NH4]+	156.13828	139.1
[M+K]+	177.06762	135.3
[M-H]-	137.09718	132.1
[M+Na-2H]-	159.07913	135.7
[M]+	138.10391	132.0
[M]-	138.10501	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe